SCHEMBL3602857

SCHEMBL3602857

Cc1cc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP30 Q70CQ3 1/20 0.46
CCR3 P51677 1/20 0.44
MAPT P10636 1/20 0.43
F13A1 P00488 2/20 0.42
TGM2 P21980 2/20 0.42
TGM1 P22735 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KAT7 O95251 1/20 0.41
TRPV3 Q8NET8 2/20 0.40
DRD4 P21917 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 1/20 0.40
THRB P10828 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
S1PR2 O95136 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3605966 0.92 MEN1 (0.48) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3601798 0.85 CCR3 (0.52) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3599783 0.85 MEN1 (0.47) MEN1KMT2AUSP30MAPTNPC1
SCHEMBL3592513 0.84 ALDH1A1 (0.47) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3602513 0.84 MEN1 (0.55) MEN1KMT2AMAPTF13A1TGM2
SCHEMBL3603606 0.83 NPC1 (0.61) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3601902 0.83 ALDH1A1 (0.47) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3605934 0.83 NAMPT (0.48) MEN1KMT2AUSP30CCR3MAPT
SCHEMBL3607841 0.82 NPC1 (0.46) MEN1KMT2ACCR3MAPTNPC1
SCHEMBL3615203 0.82 MAPT (0.49) MEN1KMT2ACCR3MAPTEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A MEN1 1716/4885KMT2A 967/4885USP30 4815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.